2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide

C24H19N3O4 — CID 155944370

IUPAC2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide
SMILESCC1(c2ccc(NC(=O)Cc3cc4c(ccc5ccccc54)o3)cc2)NC(=O)NC1=O
InChIInChI=1S/C24H19N3O4/c1-24(22(29)26-23(30)27-24)15-7-9-16(10-8-15)25-21(28)13-17-12-19-18-5-3-2-4-14(18)6-11-20(19)31-17/h2-12H,13H2,1H3,(H,25,28)(H2,26,27,29,30)
InChIKeyGCYAQQOEABFSCD-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.82
Rot. Bonds4

About 2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide

2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide (PubChem CID 155944370) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide
PubChem CID155944370
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide
SMILESCC1(c2ccc(NC(=O)Cc3cc4c(ccc5ccccc54)o3)cc2)NC(=O)NC1=O
InChIInChI=1S/C24H19N3O4/c1-24(22(29)26-23(30)27-24)15-7-9-16(10-8-15)25-21(28)13-17-12-19-18-5-3-2-4-14(18)6-11-20(19)31-17/h2-12H,13H2,1H3,(H,25,28)(H2,26,27,29,30)
InChIKeyGCYAQQOEABFSCD-UHFFFAOYSA-N
XLogP3.82
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide (CID 155944370) is 2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide is CC1(c2ccc(NC(=O)Cc3cc4c(ccc5ccccc54)o3)cc2)NC(=O)NC1=O.
What is the InChIKey of 2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide?
The InChIKey is GCYAQQOEABFSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-24(22(29)26-23(30)27-24)15-7-9-16(10-8-15)25-21(28)13-17-12-19-18-5-3-2-4-14(18)6-11-20(19)31-17/h2-12H,13H2,1H3,(H,25,28)(H2,26,27,29,30).
What are the key properties of 2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide?
2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide has a molecular weight of 413.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-2-yl-N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide is sourced from PubChem (CID 155944370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).